| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(N(C)C)c3cc(c2nncc2c1ccccc1)cn3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CN(C)C(=O)c1[nH]cc(c1)c2n[nH]cc2c3ccccc3 |
| SMILES | CACTVS | 3.341 | CN(C)C(=O)c1[nH]cc(c1)c2n[nH]cc2c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3 |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN(C)C(=O)c1cc(c[nH]1)c2c(c[nH]n2)c3ccccc3 |
| InChI | InChI | 1.03 | InChI=1S/C16H16N4O/c1-20(2)16(21)14-8-12(9-17-14)15-13(10-18-19-15)11-6-4-3-5-7-11/h3-10,17H,1-2H3,(H,18,19) |
| InChIKey | InChI | 1.03 | OPBUUQBZKJSWTN-UHFFFAOYSA-N |
